2-Acetamido-2-Deoxy-4-O-Sulfo-α-D-Galactopyranose

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Formula C8H15NO9S
IUPAC Name [(2r,3r,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 301.271 g·mol−1
Heat of Formation -1720.1 ± 16.7 kJ·mol−1
Dipole Moment 9.02 ± 1.08 D
Volume 300.48 Å 3
Surface Area 265.82 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-2-deoxy-4-o-sulfo-alpha-d-galactopyranose
  • [(2r,3r,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl] hydrogen sulfate
  • ngk
InChIKey WHCJUIFHMJFEFZ-YQXRAVKXSA-N
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